5-bromo-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide

C13H17BrN2O — CID 107418817

IUPAC5-bromo-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide
SMILESCC1CCCC1CNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C13H17BrN2O/c1-9-3-2-4-10(9)7-16-13(17)12-6-5-11(14)8-15-12/h5-6,8-10H,2-4,7H2,1H3,(H,16,17)
InChIKeyXNPKNUNPVULAHU-UHFFFAOYSA-N
MW297.20 g/mol
LogP3.01
Rot. Bonds3

About 5-bromo-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide

5-bromo-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide (PubChem CID 107418817) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 5-bromo-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide
PubChem CID107418817
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name5-bromo-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide
SMILESCC1CCCC1CNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C13H17BrN2O/c1-9-3-2-4-10(9)7-16-13(17)12-6-5-11(14)8-15-12/h5-6,8-10H,2-4,7H2,1H3,(H,16,17)
InChIKeyXNPKNUNPVULAHU-UHFFFAOYSA-N
XLogP3.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(ethylamino)-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 104640456
5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-2-carboxamide
CID 114148125
6-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 107417789
5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2-carboxamide
CID 79351145
5-hydrazinyl-N-[(2-methylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 107377630
4-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 54983100
6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]pyridazine-3-carboxamide
CID 55052556
5-chloro-N-[(2-chlorocyclopentyl)methyl]pyridine-2-carboxamide
CID 114303054
2-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107417784
1-(5-bromo-2-pyridinyl)-2-(2-methylcyclopropyl)ethanone
CID 167421881
6-hydrazinyl-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide
CID 107420650
5-[(2-methylcyclopentyl)methylcarbamoyl]-1,3-thiazole-2-carboxylic acid
CID 114267579

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide (CID 107418817) is 5-bromo-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide is CC1CCCC1CNC(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide?
The InChIKey is XNPKNUNPVULAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-9-3-2-4-10(9)7-16-13(17)12-6-5-11(14)8-15-12/h5-6,8-10H,2-4,7H2,1H3,(H,16,17).
What are the key properties of 5-bromo-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide?
5-bromo-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide has a molecular weight of 297.20 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 107418817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).